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Title: iTOUGH2 v7.1

Abstract

iTOUGH2 (inverse TOUGH2) provides inverse modeling capabilities for TOUGH2, a simulator for multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media. iTOUGH2 performs sensitivity analyses, data-worth analyses, parameter estimation, and uncertainty propagation analyses in geosciences and reservoir engineering and other application areas. iTOUGH2 supports a number of different combinations of fluids and components (equation-of-state (EOS) modules). In addition, the optimization routines implemented in iTOUGH2 can also be used for sensitivity analysis, automatic model calibration, and uncertainty quantification of any external code that uses text-based input and output files using the PEST protocol. iTOUGH2 solves the inverse problem by minimizing a non-linear objective function of the weighted differences between model output and the corresponding observations. Multiple minimization algorithms (derivative-free, gradient-based, and second-order; local and global) are available. iTOUGH2 also performs Latin Hypercube Monte Carlo simulations for uncertainty propagation analyses. A detailed residual and error analysis is provided. This upgrade includes (a) global sensitivity analysis methods, (b) dynamic memory allocation (c) additional input features and output analyses, (d) increased forward simulation capabilities, (e) parallel execution on multicore PCs and Linux clusters, and (f) bug fixes. More details can be found at http://esd.lbl.gov/iTOUGH2.

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1324959
Report Number(s):
iTOUGH2 V7.1; 004925MLTPL00
R&D Project: 830404000; 2016-182
DOE Contract Number:
AC02-05CH11231
Resource Type:
Software
Software Revision:
00
Software Package Number:
004925
Software CPU:
MLTPL
Source Code Available:
Yes
Other Software Info:
LBNL CHOOSES TO CONTROL ALL DISTRIBUTION OF THIS SOFTWARE
Country of Publication:
United States

Citation Formats

FINSTERLE, STEFAN, JUNG, YOOJIN, KOWALSKY, MICHAEL, MAGNUSDOTTIR, LILJA, PAU, GEORGE, WAINWRIGHT, HARUKO, and ZHANG, YINGQI. iTOUGH2 v7.1. Computer software. Vers. 00. USDOE. 15 Sep. 2016. Web.
FINSTERLE, STEFAN, JUNG, YOOJIN, KOWALSKY, MICHAEL, MAGNUSDOTTIR, LILJA, PAU, GEORGE, WAINWRIGHT, HARUKO, & ZHANG, YINGQI. (2016, September 15). iTOUGH2 v7.1 (Version 00) [Computer software].
FINSTERLE, STEFAN, JUNG, YOOJIN, KOWALSKY, MICHAEL, MAGNUSDOTTIR, LILJA, PAU, GEORGE, WAINWRIGHT, HARUKO, and ZHANG, YINGQI. iTOUGH2 v7.1. Computer software. Version 00. September 15, 2016.
@misc{osti_1324959,
title = {iTOUGH2 v7.1, Version 00},
author = {FINSTERLE, STEFAN and JUNG, YOOJIN and KOWALSKY, MICHAEL and MAGNUSDOTTIR, LILJA and PAU, GEORGE and WAINWRIGHT, HARUKO and ZHANG, YINGQI},
abstractNote = {iTOUGH2 (inverse TOUGH2) provides inverse modeling capabilities for TOUGH2, a simulator for multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media. iTOUGH2 performs sensitivity analyses, data-worth analyses, parameter estimation, and uncertainty propagation analyses in geosciences and reservoir engineering and other application areas. iTOUGH2 supports a number of different combinations of fluids and components (equation-of-state (EOS) modules). In addition, the optimization routines implemented in iTOUGH2 can also be used for sensitivity analysis, automatic model calibration, and uncertainty quantification of any external code that uses text-based input and output files using the PEST protocol. iTOUGH2 solves the inverse problem by minimizing a non-linear objective function of the weighted differences between model output and the corresponding observations. Multiple minimization algorithms (derivative-free, gradient-based, and second-order; local and global) are available. iTOUGH2 also performs Latin Hypercube Monte Carlo simulations for uncertainty propagation analyses. A detailed residual and error analysis is provided. This upgrade includes (a) global sensitivity analysis methods, (b) dynamic memory allocation (c) additional input features and output analyses, (d) increased forward simulation capabilities, (e) parallel execution on multicore PCs and Linux clusters, and (f) bug fixes. More details can be found at http://esd.lbl.gov/iTOUGH2.},
doi = {},
year = 2016,
month = 9,
note =
}

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  • The purpose of this report is to provide all software baseline documents necessary for the software qualification of ITOUGH2. ITOUGH2 is a computer program providing inverse modeling capabilities for TOUGH2. TOUGH2 is a numerical simulation code for multi-dimensional coupled fluid and heat flow of multiphase, multicomponent fluid mixtures in porous and fractured media.
  • ITOUGH2 inversions are computationally intensive because the forward problem must be solved many times to evaluate the objective function for different parameter combinations or to numerically calculate sensitivity coefficients. Most of these forward runs are independent from each other and can therefore be performed in parallel. Message passing based on the Parallel Virtual Machine (PVM) system has been implemented into ITOUGH2 to enable parallel processing of ITOUGH2 jobs on a heterogeneous network of Unix workstations. This report describes the PVM system and its implementation into ITOUGH2. Instructions are given for installing PVM, compiling ITOUGH2-PVM for use on a workstation cluster,more » the preparation of an 1.TOUGH2 input file under PVM, and the execution of an ITOUGH2-PVM application. Examples are discussed, demonstrating the use of ITOUGH2-PVM.« less
  • ITOUGH2 is a program that provides inverse modeling capabilities for the TOUGH2 code. While the main purpose of ITOUGH2 is to estimate two-phase hydraulic properties of calibrating a TOUGH2 model to laboratory or field data, the information obtained by evaluating parameter sensitivities can also be used to optimize the design of an experiment, and to analyze the uncertainty of model predictions. ITOUGH2 has been applied to a number of laboratory and field experiments on different scales. Three examples are discussed in this paper, demonstrating the code`s capability to support test design, data analysis, and model predictions for a variety ofmore » TOUGH problems.« less
  • This report describes the Verification and Validation (V and V) test cases performed to qualify ITOUGH2 V3.2. ITOUGH2 V3.2 was installed in a directory {approximately}/itough2v3.2 on a SUN ULTRA 1 workstation under UNIX Solaris 2. Instructions for installing ITOUGH2 can be found in file read.me and the user`s manual. This report is structured as follows: for each functional requirement, the corresponding design is described, which may include the mathematical model implemented in ITOUGH2 V3.2, if appropriate. Next, the author discusses the test case or sequence of test cases performed to validate each requirement, followed by a description of the testmore » results and their compliance with the acceptance criteria. ITOUGH2 simulates fluid flow in fractures.« less
  • This report contains a collection of ITOUGH2 sample problems. It complements the ITOUGH2 User`s Guide [Finsterle, 1997a], and the ITOUGH2 Command Reference [Finsterle, 1997b]. ITOUGH2 is a program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis. It is based on the TOUGH2 simulator for non-isothermal multiphase flow in fractured and porous media [Preuss, 1987, 1991a]. The report ITOUGH2 User`s Guide [Finsterle, 1997a] describes the inverse modeling framework and provides the theoretical background. The report ITOUGH2 Command Reference [Finsterle, 1997b] contains the syntax of all ITOUGH2 commands. This report describes a variety of sample problems solved by ITOUGH2. Table 1.1more » contains a short description of the seven sample problems discussed in this report. The TOUGH2 equation-of-state (EOS) module that needs to be linked to ITOUGH2 is also indicated. Each sample problem focuses on a few selected issues shown in Table 1.2. ITOUGH2 input features and the usage of program options are described. Furthermore, interpretations of selected inverse modeling results are given. Problem 1 is a multipart tutorial, describing basic ITOUGH2 input files for the main ITOUGH2 application modes; no interpretation of results is given. Problem 2 focuses on non-uniqueness, residual analysis, and correlation structure. Problem 3 illustrates a variety of parameter and observation types, and describes parameter selection strategies. Problem 4 compares the performance of minimization algorithms and discusses model identification. Problem 5 explains how to set up a combined inversion of steady-state and transient data. Problem 6 provides a detailed residual and error analysis. Finally, Problem 7 illustrates how the estimation of model-related parameters may help compensate for errors in that model.« less

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